Information card for entry 2233896

Structure parameters

• Chemical name: 10-Ethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-10<i>H</i>-phenothiazine
• Formula: C17 H15 N3 O S
• Calculated formula: C17 H15 N3 O S
• SMILES: S1c2c(N(c3c1cccc3)CC)ccc(c1oc(nn1)C)c2
• Title of publication: 10-Ethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-10<i>H</i>-phenothiazine
• Authors of publication: Pan, Yu-Zhen; Wang, You-Gui; Liu, Jian-Hui; Sun, Li-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o649
• a: 7.6752 ± 0.0004 Å
• b: 8.2913 ± 0.0004 Å
• c: 12.9469 ± 0.0008 Å
• α: 84.87 ± 0.004°
• β: 82.569 ± 0.004°
• γ: 63.696 ± 0.003°
• Cell volume: 731.91 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes